N-cyclobutyl-3-[[(2S)-1-pyrazol-1-ylpropan-2-yl]sulfamoyl]benzamide

C17H22N4O3S — CID 97206215

IUPACN-cyclobutyl-3-[[(2S)-1-pyrazol-1-ylpropan-2-yl]sulfamoyl]benzamide
SMILESC[C@@H](Cn1cccn1)NS(=O)(=O)c1cccc(C(=O)NC2CCC2)c1
InChIInChI=1S/C17H22N4O3S/c1-13(12-21-10-4-9-18-21)20-25(23,24)16-8-2-5-14(11-16)17(22)19-15-6-3-7-15/h2,4-5,8-11,13,15,20H,3,6-7,12H2,1H3,(H,19,22)/t13-/m0/s1
InChIKeyWTJHHPWTOBNPTL-ZDUSSCGKSA-N
MW362.46 g/mol
LogP1.53
Rot. Bonds7

About N-cyclobutyl-3-[[(2S)-1-pyrazol-1-ylpropan-2-yl]sulfamoyl]benzamide

N-cyclobutyl-3-[[(2S)-1-pyrazol-1-ylpropan-2-yl]sulfamoyl]benzamide (PubChem CID 97206215) has the molecular formula C17H22N4O3S and a molecular weight of 362.46 g/mol. Its IUPAC name is N-cyclobutyl-3-[[(2S)-1-pyrazol-1-ylpropan-2-yl]sulfamoyl]benzamide.

Molecular Properties

Compound NameN-cyclobutyl-3-[[(2S)-1-pyrazol-1-ylpropan-2-yl]sulfamoyl]benzamide
PubChem CID97206215
Molecular FormulaC17H22N4O3S
Molecular Weight362.46 g/mol
Exact Mass362.14
IUPAC NameN-cyclobutyl-3-[[(2S)-1-pyrazol-1-ylpropan-2-yl]sulfamoyl]benzamide
SMILESC[C@@H](Cn1cccn1)NS(=O)(=O)c1cccc(C(=O)NC2CCC2)c1
InChIInChI=1S/C17H22N4O3S/c1-13(12-21-10-4-9-18-21)20-25(23,24)16-8-2-5-14(11-16)17(22)19-15-6-3-7-15/h2,4-5,8-11,13,15,20H,3,6-7,12H2,1H3,(H,19,22)/t13-/m0/s1
InChIKeyWTJHHPWTOBNPTL-ZDUSSCGKSA-N
XLogP1.53
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(propan-2-ylsulfamoyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide
CID 55858222
N-propyl-4-[[(2S)-1-pyrazol-1-ylpropan-2-yl]sulfamoyl]benzamide
CID 97119546
N-propyl-4-(1-pyrazol-1-ylpropan-2-ylsulfamoyl)benzamide
CID 70724305
2-methyl-5-[[(2S)-1-pyrazol-1-ylpropan-2-yl]sulfamoyl]benzamide
CID 94024841
3-amino-4-methyl-N-(1-pyrazol-1-ylpropan-2-yl)benzenesulfonamide
CID 61459524
N-cyclopentyl-3-[[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]sulfamoyl]benzamide
CID 97192198
4-[[(2R)-butan-2-yl]sulfamoyl]-N-cyclopentylbenzamide
CID 9214369
N-(2-methylpiperidin-4-yl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride
CID 120601336
3-(cyclohexylsulfamoyl)-N-cyclopentylbenzamide
CID 109063195
N-cyclopropyl-3-(methylsulfamoyl)benzamide
CID 35743549
N-[(2S)-1-pyrazol-1-ylpropan-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 94023228
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride
CID 119458558

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-3-[[(2S)-1-pyrazol-1-ylpropan-2-yl]sulfamoyl]benzamide?
The IUPAC name of N-cyclobutyl-3-[[(2S)-1-pyrazol-1-ylpropan-2-yl]sulfamoyl]benzamide (CID 97206215) is N-cyclobutyl-3-[[(2S)-1-pyrazol-1-ylpropan-2-yl]sulfamoyl]benzamide.
What is the SMILES notation for N-cyclobutyl-3-[[(2S)-1-pyrazol-1-ylpropan-2-yl]sulfamoyl]benzamide?
The canonical SMILES for N-cyclobutyl-3-[[(2S)-1-pyrazol-1-ylpropan-2-yl]sulfamoyl]benzamide is C[C@@H](Cn1cccn1)NS(=O)(=O)c1cccc(C(=O)NC2CCC2)c1.
What is the InChIKey of N-cyclobutyl-3-[[(2S)-1-pyrazol-1-ylpropan-2-yl]sulfamoyl]benzamide?
The InChIKey is WTJHHPWTOBNPTL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H22N4O3S/c1-13(12-21-10-4-9-18-21)20-25(23,24)16-8-2-5-14(11-16)17(22)19-15-6-3-7-15/h2,4-5,8-11,13,15,20H,3,6-7,12H2,1H3,(H,19,22)/t13-/m0/s1.
What are the key properties of N-cyclobutyl-3-[[(2S)-1-pyrazol-1-ylpropan-2-yl]sulfamoyl]benzamide?
N-cyclobutyl-3-[[(2S)-1-pyrazol-1-ylpropan-2-yl]sulfamoyl]benzamide has a molecular weight of 362.46 g/mol, XLogP of 1.53, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-3-[[(2S)-1-pyrazol-1-ylpropan-2-yl]sulfamoyl]benzamide is sourced from PubChem (CID 97206215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).